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CHEBI:209578 - Ulongamide A

ChEBI IDCHEBI:209578
ChEBI NameUlongamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H45N5O6S
Net Charge0
Average Mass627.808
Monoisotopic Mass627.30906
SMILESCCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@@H]1C
InChIInChI=1S/C32H45N5O6S/c1-9-13-23-19(4)32(42)43-21(6)30(40)36(7)25(16-22-14-11-10-12-15-22)31(41)37(8)26(18(2)3)28(39)33-20(5)29-35-24(17-44-29)27(38)34-23/h10-12,14-15,17-21,23,25-26H,9,13,16H2,1-8H3,(H,33,39)(H,34,38)/t19-,20+,21+,23-,25+,26+/m1/s1
InChIKeyLKFYCKOJWDHZOF-XJRDRPONSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (12141859)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ulongamide A (CHEBI:209578) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,5S,8S,11S,14R,15R)-8-benzyl-2,6,9,11,14-pentamethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Manual XrefsDatabases
9160240ChemSpider